[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate

C15H9F3N2O3S — CID 57469780

IUPAC[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)23-10-6-7-11-12(8-10)24-14(20-11)22-13(21)19-9-4-2-1-3-5-9/h1-8H,(H,19,21)
InChIKeyNGZJWDFEGCPHBI-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.81
Rot. Bonds3

About [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate

[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate (PubChem CID 57469780) has the molecular formula C15H9F3N2O3S and a molecular weight of 354.31 g/mol. Its IUPAC name is [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate
PubChem CID57469780
Molecular FormulaC15H9F3N2O3S
Molecular Weight354.31 g/mol
Exact Mass354.03
IUPAC Name[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1nc2ccc(OC(F)(F)F)cc2s1
InChIInChI=1S/C15H9F3N2O3S/c16-15(17,18)23-10-6-7-11-12(8-10)24-14(20-11)22-13(21)19-9-4-2-1-3-5-9/h1-8H,(H,19,21)
InChIKeyNGZJWDFEGCPHBI-UHFFFAOYSA-N
XLogP4.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] benzoate
CID 57027275
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 121230751
3-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]propanamide;hydrochloride
CID 119275185
4-oxo-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]but-2-enoic acid
CID 171905318
(4S)-4-(3-carboxypropanoylamino)-5-oxo-5-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]pentanoic acid
CID 175893836
1-chloroethyl N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamate
CID 118029905
2-(ethylamino)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 122624925
4-amino-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]butanamide;hydrochloride
CID 119275202
1-(3-cyanophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 146255052
3-(methanesulfonamido)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide
CID 35994079
2-benzyl-6-(trifluoromethoxy)-1,3-benzothiazole
CID 156595781
1-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]thiourea
CID 44818647

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate?
The IUPAC name of [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate (CID 57469780) is [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate.
What is the SMILES notation for [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate?
The canonical SMILES for [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate is O=C(Nc1ccccc1)Oc1nc2ccc(OC(F)(F)F)cc2s1.
What is the InChIKey of [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate?
The InChIKey is NGZJWDFEGCPHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O3S/c16-15(17,18)23-10-6-7-11-12(8-10)24-14(20-11)22-13(21)19-9-4-2-1-3-5-9/h1-8H,(H,19,21).
What are the key properties of [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate?
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate has a molecular weight of 354.31 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethoxy)-1,3-benzothiazol-2-yl] N-phenylcarbamate is sourced from PubChem (CID 57469780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).